Characterization of Functional Groups of Asphaltenes in Vacuum Residues Using Molecular Modelling and FTIR Techniques

Abstract

Abstract Asphaltenes are components of crude oil, and their average chemical structures are characterized with difficulty. This study shows that simple Fourier transform infrared (FTIR) analysis spectroscopy could be adapted to the determination of aromatic hydrogens in asphaltenes and resins and elucidation of their average molecules. The work demonstrates the existence of a linear correlation in the infrared (IR) intensities of the symmetric and asymmetric aromatic hydrogens in methyl substituted arenes, in the 2,900 to 3,100 cm−1 region and of the out-of-plane deformation in the 700 to 900 cm−1 region.